Monomers

3-Methylidene-1-propylpyrrolidine-2,5-dione

Identifiers

IUPAC name
3-methylidene-1-propylpyrrolidine-2,5-dione
InchI
InChI=1S/C8H11NO2/c1-3-4-9-7(10)5-6(2)8(9)11/h2-5H2,1H3
InchI Key
VGUAXHLGHHWMAJ-UHFFFAOYSA-N
SMILES
CCCN1C(=O)CC(=C)C1=O
Canonical SMILES
CCCN1C(=O)CC(=C)C1=O
Isomeric SMILES
CCCN1C(=O)CC(=C)C1=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H11NO2
Heavy Atom Count
11
Molecular Weight
153.181
Exact Molecular Weight
153.079
Valence Electrons
60
Radical Electrons
0
tPSA
37.38
MolLogP
0.7115
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 22 22  0  0  0  0  0  0  0  0999 V2000
   -3.5353   -0.0960    0.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0828    0.2153    0.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2391   -0.1590   -0.6837 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1579    0.0713   -0.4852 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9520    1.2209   -0.7496 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4701    2.3433   -1.0504 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3820    0.9131   -0.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4010   -0.3707    0.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4507   -0.8936    0.7444 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0494   -0.8985    0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7658   -2.0750    0.4341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6949    0.1935   -0.9429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7353   -1.1628    0.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1541    0.5858    0.7359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8652   -0.4608    1.3592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9770    1.2553    0.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4035   -1.2374   -0.8817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5402    0.3825   -1.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8970    0.7715   -1.5844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9293    1.6578   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3513   -1.8319    1.2662 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4208   -0.4245    0.7486 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  3
  8 10  1  0
 10 11  2  0
 10  4  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  3 17  1  0
  3 18  1  0
  7 19  1  0
  7 20  1  0
  9 21  1  0
  9 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers